Molecule card · MolClass #45443
24809506
24809506: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24809506Mitochondrial Fusion · compound_name
- MolClass ID
- 45443
- InChIKey
- HCOLIVYGXAABOJ-UHFFFAOYSA-N
- Canonical SMILES
- OCCN(Cc1ccccc1)C3=CC(=O)C(=O)c2ccccc23
- Standard InChI
- InChI=1S/C19H17NO3/c21-11-10-20(13-14-6-2-1-3-7-14)17-12-18(22)19(23)16-9-5-4-8-15(16)17/h1-9,12,21H,10-11,13H2
- Stored Murcko scaffold
- c1ccc(cc1)CNc2cccc3ccccc32
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.344 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.975
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24809506